SCHEMBL19701935

SCHEMBL19701935

Cc1cc(=O)n(C)cc1C(C)C

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
BRD4 O60885 3/20 0.35
ATAD2 Q6PL18 1/20 0.34
LMNA P02545 3/20 0.33
HSD17B10 Q99714 1/20 0.33
GAA P10253 1/20 0.33
BAZ2B Q9UIF8 1/20 0.33
BAZ2A Q9UIF9 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
KDM4E B2RXH2 2/20 0.32
NQO2 P16083 1/20 0.32
CREBBP Q92793 1/20 0.32
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19711172 0.79 BAZ2B (0.37) BRD4ATAD2BAZ2BBAZ2AKDM4E
SCHEMBL22448626 0.78 LMNA (0.39) ALDH1A1ATAD2LMNAGAAHPGD
SCHEMBL24759404 0.78 ALDH1A1 (0.33) ALDH1A1LMNAHSD17B10GAAGPR55
SCHEMBL26237165 0.76 HDAC6 (0.33) ATAD2CREBBP
SCHEMBL13481160 0.75 ATAD2 (0.39) BRD4ATAD2BAZ2BBAZ2AKDM4E
SCHEMBL20906890 0.75 NOTUM (0.38) ATAD2CREBBP
SCHEMBL26024529 0.73 KDM4E (0.38) ALDH1A1ATAD2HSD17B10GAAKDM4E
SCHEMBL12172358 0.70 MAP2K2 (0.39) BRD4ATAD2BAZ2BBAZ2AKDM4E
SCHEMBL15535707 0.70 ATAD2 (0.45) ALDH1A1BRD4ATAD2HSD17B10GAA
SCHEMBL6239638 0.70 BRD4 (0.36) BRD4ATAD2BAZ2BBAZ2AKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2017-12-14 US disclosed
US-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2017-12-14 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS PIK3R3, JAK2, JAK3 ALDH1A1 3131/4885BRD4 32/4885ATAD2 2217/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.